## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
171 |
44 |
18631 |
◊ |
A |
x,y,z |
1_555 |
175 |
44 |
18683 |
1660.2 |
-6.7 |
0.473 |
25 |
6 |
0 |
1.000 |
2 |
|
K |
168 |
43 |
18713 |
◊ |
I |
x,y,z |
1_555 |
178 |
44 |
18661 |
1632.8 |
-7.2 |
0.459 |
25 |
6 |
0 |
1.000 |
3 |
|
J |
174 |
44 |
18501 |
◊ |
G |
x,y,z |
1_555 |
175 |
45 |
18673 |
1619.7 |
-8.2 |
0.398 |
21 |
1 |
0 |
1.000 |
4 |
|
D |
172 |
43 |
18561 |
◊ |
C |
x,y,z |
1_555 |
172 |
43 |
18496 |
1600.9 |
-9.0 |
0.355 |
22 |
2 |
0 |
1.000 |
5 |
|
F |
167 |
42 |
18603 |
◊ |
E |
x,y,z |
1_555 |
168 |
45 |
18647 |
1583.2 |
-7.4 |
0.442 |
26 |
4 |
0 |
1.000 |
6 |
|
L |
167 |
43 |
18703 |
◊ |
H |
x,y,z |
1_555 |
168 |
43 |
18579 |
1576.7 |
-9.3 |
0.321 |
21 |
1 |
0 |
1.000 |
Average: |
1612.2 |
-8.0 |
0.408 |
23 |
3 |
0 |
1.000 |
2 |
7 |
|
L |
115 |
31 |
18703 |
◊ |
K |
x,y,z |
1_555 |
94 |
29 |
18713 |
963.6 |
-7.0 |
0.195 |
11 |
5 |
0 |
0.469 |
8 |
|
I |
90 |
30 |
18661 |
◊ |
G |
x,y,z |
1_555 |
111 |
30 |
18673 |
945.0 |
-7.5 |
0.144 |
10 |
3 |
0 |
0.469 |
9 |
|
F |
88 |
28 |
18603 |
◊ |
D |
x,y,z |
1_555 |
105 |
31 |
18561 |
944.0 |
-7.2 |
0.190 |
12 |
3 |
0 |
0.469 |
10 |
|
D |
85 |
27 |
18561 |
◊ |
B |
x,y,z |
1_555 |
110 |
30 |
18631 |
942.7 |
-8.8 |
0.110 |
10 |
3 |
0 |
0.469 |
11 |
|
E |
108 |
30 |
18647 |
◊ |
C |
x,y,z |
1_555 |
92 |
27 |
18496 |
942.5 |
-8.0 |
0.143 |
12 |
3 |
0 |
0.469 |
12 |
|
H |
113 |
33 |
18579 |
◊ |
G |
x,y,z |
1_555 |
95 |
29 |
18673 |
939.3 |
-8.7 |
0.142 |
9 |
4 |
0 |
0.469 |
13 |
|
E |
91 |
29 |
18647 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
18683 |
931.4 |
-8.9 |
0.131 |
12 |
2 |
0 |
0.469 |
14 |
|
F |
112 |
30 |
18603 |
◊ |
B |
x,y,z |
1_555 |
89 |
28 |
18631 |
930.1 |
-8.7 |
0.114 |
9 |
1 |
0 |
0.469 |
15 |
|
C |
108 |
30 |
18496 |
◊ |
A |
x,y,z |
1_555 |
86 |
27 |
18683 |
921.2 |
-9.6 |
0.093 |
10 |
4 |
0 |
0.469 |
16 |
|
I |
108 |
30 |
18661 |
◊ |
H |
x,y,z |
1_555 |
92 |
29 |
18579 |
918.1 |
-8.7 |
0.135 |
10 |
4 |
0 |
0.469 |
17 |
|
L |
84 |
29 |
18703 |
◊ |
J |
x,y,z |
1_555 |
109 |
30 |
18501 |
912.4 |
-8.9 |
0.105 |
8 |
2 |
0 |
0.469 |
18 |
|
K |
113 |
30 |
18713 |
◊ |
J |
x,y,z |
1_555 |
89 |
27 |
18501 |
909.0 |
-10.1 |
0.086 |
9 |
3 |
0 |
0.469 |
Average: |
933.3 |
-8.5 |
0.132 |
10 |
3 |
0 |
0.469 |
3 |
19 |
|
B |
65 |
16 |
18631 |
◊ |
C |
x-1,y,z |
1_455 |
55 |
13 |
18496 |
515.5 |
-1.4 |
0.530 |
5 |
4 |
0 |
0.000 |
4 |
20 |
|
I |
63 |
15 |
18661 |
◊ |
J |
x-1,y+1,z |
1_465 |
60 |
14 |
18501 |
487.1 |
-4.9 |
0.229 |
1 |
1 |
0 |
0.000 |
21 |
|
B |
53 |
14 |
18631 |
◊ |
E |
x-1,y+1,z |
1_465 |
56 |
13 |
18647 |
427.3 |
-2.4 |
0.461 |
1 |
1 |
0 |
0.000 |
Average: |
457.2 |
-3.7 |
0.345 |
1 |
1 |
0 |
0.000 |
5 |
22 |
|
G |
52 |
15 |
18673 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
18683 |
399.4 |
0.1 |
0.672 |
4 |
2 |
0 |
0.000 |
6 |
23 |
|
J |
42 |
11 |
18501 |
◊ |
H |
x,y-1,z |
1_545 |
34 |
13 |
18579 |
364.1 |
1.6 |
0.721 |
5 |
5 |
0 |
0.000 |
7 |
24 |
|
D |
38 |
11 |
18561 |
◊ |
L |
x-1,y+1,z+1 |
1_466 |
33 |
12 |
18703 |
326.3 |
3.2 |
0.870 |
3 |
2 |
0 |
0.000 |
8 |
25 |
|
K |
26 |
9 |
18713 |
◊ |
E |
x,y,z-1 |
1_554 |
39 |
12 |
18647 |
273.9 |
-3.9 |
0.209 |
0 |
1 |
0 |
0.000 |
26 |
|
I |
27 |
8 |
18661 |
◊ |
F |
x,y,z-1 |
1_554 |
28 |
8 |
18603 |
199.4 |
-4.4 |
0.144 |
0 |
2 |
0 |
0.000 |
Average: |
236.7 |
-4.1 |
0.177 |
0 |
2 |
0 |
0.000 |
9 |
27 |
|
F |
35 |
10 |
18603 |
◊ |
L |
x-1,y,z+1 |
1_456 |
29 |
12 |
18703 |
271.8 |
1.6 |
0.783 |
4 |
4 |
0 |
0.000 |
10 |
28 |
|
I |
34 |
9 |
18661 |
◊ |
A |
x,y,z |
1_555 |
31 |
5 |
18683 |
268.5 |
1.3 |
0.755 |
3 |
7 |
0 |
0.000 |
29 |
|
G |
32 |
5 |
18673 |
◊ |
E |
x,y,z |
1_555 |
39 |
9 |
18647 |
259.5 |
-0.2 |
0.620 |
1 |
3 |
0 |
0.000 |
Average: |
264.0 |
0.6 |
0.688 |
2 |
5 |
0 |
0.000 |
11 |
30 |
|
K |
25 |
9 |
18713 |
◊ |
D |
x,y-1,z-1 |
1_544 |
27 |
5 |
18561 |
177.5 |
-1.3 |
0.479 |
0 |
0 |
0 |
0.000 |
12 |
31 |
|
G |
22 |
10 |
18673 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
18496 |
174.2 |
0.8 |
0.714 |
1 |
4 |
0 |
0.000 |
32 |
|
H |
19 |
10 |
18579 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
18683 |
141.0 |
-0.7 |
0.486 |
0 |
1 |
0 |
0.000 |
Average: |
157.6 |
0.1 |
0.600 |
1 |
3 |
0 |
0.000 |
13 |
33 |
|
F |
20 |
9 |
18603 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
18496 |
125.3 |
0.5 |
0.701 |
0 |
0 |
0 |
0.002 |
34 |
|
D |
19 |
9 |
18561 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
18683 |
117.8 |
0.5 |
0.690 |
0 |
0 |
0 |
0.002 |
35 |
|
K |
14 |
6 |
18713 |
◊ |
H |
x,y,z |
1_555 |
23 |
8 |
18579 |
103.6 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.002 |
36 |
|
E |
20 |
8 |
18647 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
18631 |
98.4 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.002 |
37 |
|
L |
19 |
7 |
18703 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
18673 |
91.7 |
0.1 |
0.642 |
0 |
0 |
0 |
0.002 |
38 |
|
J |
13 |
4 |
18501 |
◊ |
I |
x,y,z |
1_555 |
12 |
4 |
18661 |
63.7 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.002 |
Average: |
100.1 |
0.1 |
0.639 |
0 |
0 |
0 |
0.002 |
14 |
39 |
|
K |
11 |
3 |
18713 |
◊ |
L |
x-1,y,z |
1_455 |
11 |
3 |
18703 |
96.0 |
1.2 |
0.803 |
3 |
3 |
0 |
0.000 |
15 |
40 |
|
[PO4]I:426 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
18661 |
91.2 |
-4.4 |
0.815 |
1 |
0 |
0 |
0.143 |
16 |
41 |
|
E |
10 |
4 |
18647 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
3 |
18561 |
89.2 |
-0.9 |
0.421 |
1 |
1 |
0 |
0.000 |
17 |
42 |
|
[PO4]C:426 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
18496 |
88.6 |
-4.4 |
0.818 |
1 |
0 |
0 |
0.028 |
18 |
43 |
|
[PO4]D:426 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
18561 |
88.1 |
-4.4 |
0.807 |
1 |
0 |
0 |
0.028 |
19 |
44 |
|
[PO4]G:426 |
5 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
18673 |
87.8 |
-4.2 |
0.829 |
1 |
0 |
0 |
0.025 |
20 |
45 |
|
[PO4]K:426 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
11 |
5 |
18713 |
87.4 |
-4.2 |
0.819 |
1 |
0 |
0 |
0.137 |
21 |
46 |
|
[PO4]I:427 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
18579 |
86.6 |
-4.3 |
0.803 |
1 |
0 |
0 |
0.026 |
22 |
47 |
|
[PO4]F:426 |
4 |
1 |
175 |
f |
F |
x,y,z |
1_555 |
14 |
3 |
18603 |
85.9 |
-3.4 |
0.747 |
2 |
0 |
0 |
0.153 |
23 |
48 |
|
[PO4]J:426 |
5 |
1 |
188 |
◊ |
L |
x,y,z |
1_555 |
12 |
6 |
18703 |
84.9 |
-3.8 |
0.819 |
2 |
0 |
0 |
0.026 |
24 |
49 |
|
[PO4]A:426 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
18496 |
84.7 |
-3.9 |
0.872 |
2 |
0 |
0 |
0.027 |
25 |
50 |
|
[PO4]A:426 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18683 |
83.1 |
-4.1 |
0.827 |
2 |
0 |
0 |
0.178 |
26 |
51 |
|
[PO4]G:426 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
10 |
2 |
18579 |
82.3 |
-3.6 |
0.875 |
4 |
0 |
0 |
0.243 |
27 |
52 |
|
[PO4]D:426 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
18631 |
81.8 |
-3.8 |
0.852 |
3 |
0 |
0 |
0.182 |
28 |
53 |
|
[PO4]I:426 |
5 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
11 |
2 |
18673 |
81.5 |
-3.3 |
0.870 |
2 |
0 |
0 |
0.023 |
29 |
54 |
|
[PO4]K:426 |
5 |
1 |
187 |
◊ |
L |
x,y,z |
1_555 |
11 |
2 |
18703 |
80.9 |
-3.7 |
0.879 |
2 |
0 |
0 |
0.025 |
30 |
55 |
|
[PO4]I:427 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
11 |
2 |
18661 |
80.7 |
-3.8 |
0.863 |
3 |
0 |
0 |
0.153 |
31 |
56 |
|
[PO4]C:426 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
9 |
2 |
18647 |
79.5 |
-3.5 |
0.899 |
4 |
0 |
0 |
0.187 |
32 |
57 |
|
[PO4]J:426 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
11 |
2 |
18501 |
79.1 |
-4.2 |
0.852 |
3 |
0 |
0 |
0.246 |
33 |
58 |
|
K |
7 |
1 |
18713 |
◊ |
H |
x,y-1,z |
1_545 |
7 |
3 |
18579 |
78.5 |
0.6 |
0.448 |
2 |
1 |
0 |
0.000 |
34 |
59 |
|
[PO4]F:426 |
4 |
1 |
175 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
18631 |
77.0 |
-1.5 |
0.827 |
1 |
0 |
0 |
0.011 |
35 |
60 |
|
[NH4]H:426 |
1 |
1 |
117 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
18579 |
73.4 |
1.4 |
0.855 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
[NH4]B:426 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
18631 |
72.2 |
0.7 |
0.742 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
L |
8 |
2 |
18703 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
18661 |
70.2 |
-0.8 |
0.409 |
0 |
0 |
0 |
0.021 |
63 |
|
F |
8 |
2 |
18603 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
18683 |
69.2 |
-0.8 |
0.408 |
1 |
0 |
0 |
0.021 |
64 |
|
E |
7 |
2 |
18647 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
18561 |
69.1 |
-0.7 |
0.410 |
1 |
0 |
0 |
0.021 |
65 |
|
J |
6 |
2 |
18501 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
18579 |
67.6 |
-0.7 |
0.386 |
1 |
0 |
0 |
0.021 |
66 |
|
K |
8 |
2 |
18713 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
18673 |
66.6 |
-0.8 |
0.409 |
1 |
0 |
0 |
0.021 |
67 |
|
C |
7 |
2 |
18496 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
18631 |
66.4 |
-0.8 |
0.382 |
1 |
0 |
0 |
0.021 |
Average: |
68.2 |
-0.8 |
0.401 |
1 |
0 |
0 |
0.021 |
38 |
68 |
|
B |
7 |
3 |
18631 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
18561 |
64.5 |
0.2 |
0.468 |
1 |
1 |
0 |
0.000 |
39 |
69 |
|
[NH4]A:427 |
1 |
1 |
117 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
18647 |
57.8 |
0.9 |
0.836 |
0 |
0 |
0 |
0.000 |
40 |
70 |
|
[NH4]L:426 |
1 |
1 |
117 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
18703 |
55.5 |
0.6 |
0.725 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
[NH4]A:427 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
18683 |
54.6 |
1.1 |
0.876 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[NH4]J:427 |
1 |
1 |
117 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
18501 |
51.2 |
0.7 |
0.794 |
0 |
0 |
0 |
0.000 |
73 |
|
[NH4]F:427 |
1 |
1 |
117 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
18603 |
44.7 |
0.0 |
0.457 |
0 |
0 |
0 |
0.000 |
Average: |
47.9 |
0.4 |
0.626 |
0 |
0 |
0 |
0.000 |
43 |
74 |
|
F |
4 |
1 |
18603 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
1 |
18561 |
29.1 |
-0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
44 |
75 |
|
E |
3 |
2 |
18647 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
18496 |
7.7 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
45 |
76 |
|
K |
3 |
1 |
18713 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
18603 |
5.4 |
-0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
46 |
77 |
|
F |
1 |
1 |
18603 |
◊ |
J |
x-1,y+1,z+1 |
1_466 |
1 |
1 |
18501 |
0.6 |
0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
|